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9HGV

E-selectin complexed with glycomimetic ligand BW1002

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2015-02-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.999996
Spacegroup nameC 1 2 1
Unit cell lengths92.820, 72.980, 52.430
Unit cell angles90.00, 94.07, 90.00
Refinement procedure
Resolution46.290 - 2.460
R-factor0.2362
Rwork0.234
R-free0.26880
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.004
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX ((1.21rc1_5127: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.3002.710
High resolution limit [Å]2.4602.460
Rmerge0.0660.990
Rpim0.0530.780
Number of reflections126033116
<I/σ(I)>7.40.9
Completeness [%]98.798.6
Redundancy2.32.3
CC(1/2)0.9970.550
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.22930.2M CaCl2, 0.1 M Mops pH 6.2, 11-14% PEG8000, after microseeding

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